SCHEMBL3654182

SCHEMBL3654182

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)n2)cc(OC)c1OC.Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2nc(-c3ccc(Cl)c(F)c3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
RECQL P46063 2/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 4/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NTSR1 P30989 1/20 0.42
AR P10275 2/20 0.41
POLB P06746 1/20 0.40
HTT P42858 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3009024 0.93 MAPT (0.55) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3001967 0.91 SMN1; SMN2 (0.58) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3012734 0.88 MAPT (0.57) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3647322 0.86 MAPK1 (0.51) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3013056 0.86 MAPT (0.55) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3017214 0.85 MAPT (0.56) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3015613 0.85 SMN1; SMN2 (0.59) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3648111 0.85 MAPT (0.48) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3015806 0.84 SMN1; SMN2 (0.58) MAPTRECQLUSP2HSD17B10SMN1; SMN2
SCHEMBL3007245 0.84 SMN1; SMN2 (0.60) MAPTRECQLUSP2HSD17B10SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed